[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane

C16H27NO4 — CID 91153786

IUPAC[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
SMILESCC.COCCN(CCOC)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C14H21NO4.C2H6/c1-12(16)19-14-6-4-13(5-7-14)15(8-10-17-2)9-11-18-3;1-2/h4-7H,8-11H2,1-3H3;1-2H3
InChIKeyJEBDNTBSORNOJW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.74
Rot. Bonds8

About [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane

[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane (PubChem CID 91153786) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane.

Molecular Properties

Compound Name[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
PubChem CID91153786
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
SMILESCC.COCCN(CCOC)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C14H21NO4.C2H6/c1-12(16)19-14-6-4-13(5-7-14)15(8-10-17-2)9-11-18-3;1-2/h4-7H,8-11H2,1-3H3;1-2H3
InChIKeyJEBDNTBSORNOJW-UHFFFAOYSA-N
XLogP2.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[N-[2-(4-acetyloxyphenoxy)ethyl]anilino]ethoxy]phenyl] acetate
CID 71736094
[4-[bis(2-methoxyethyl)amino]phenyl] N-pentan-2-ylcarbamate
CID 20812634
[4-[4-(dipropylamino)phenoxy]carbonylphenyl] 4-acetyloxybenzoate
CID 122542341
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
(2S)-2-[[4-[bis(2-methoxyethyl)amino]phenoxy]carbonylamino]pentanoic acid;[4-[bis(2-methoxyethyl)amino]phenyl] N-[(2R)-pentan-2-yl]carbamate;ethane
CID 161406476
[4-(dimethylamino)phenyl] acetate
CID 586356
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435
2-[[4-[2-methoxyethyl(propyl)amino]phenoxy]carbonylamino]pentanedioic acid
CID 20812618
ethane;(2S)-2-[[4-[2-methoxyethyl(propyl)amino]phenoxy]carbonylamino]pentanedioic acid;[4-[2-methoxyethyl(propyl)amino]phenyl] N-[(2R)-pentan-2-yl]carbamate
CID 158542670
1,1-bis[4-[bis(2-methoxyethyl)amino]phenyl]ethanol
CID 118894030
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571

Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane?
The IUPAC name of [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane (CID 91153786) is [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane.
What is the SMILES notation for [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane?
The canonical SMILES for [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane is CC.COCCN(CCOC)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane?
The InChIKey is JEBDNTBSORNOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.C2H6/c1-12(16)19-14-6-4-13(5-7-14)15(8-10-17-2)9-11-18-3;1-2/h4-7H,8-11H2,1-3H3;1-2H3.
What are the key properties of [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane?
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane has a molecular weight of 297.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane is sourced from PubChem (CID 91153786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).